Journal of Fluorine Chemistry ( IF 1.7 ) Pub Date : 2018-03-16 , DOI: 10.1016/j.jfluchem.2018.03.006 Fabio Lorenzini , Andrew C. Marr , Graham C. Saunders , Hayden P. Thomas
The crystal structures of 1-(2-halo-6-fluorophenylmethyl)-1-methylimidazolium bromide salts and 1-(2-trifluoromethyl-6-fluorophenylmethyl)-1-methylimidazolium bromide [MeNC3H3NCH2C6H3X-2-F-6]+·Br− [X = F (1), Cl (2), Br (3), I (4), CF3 (5)] have been determined. The crystal structure of the hydrate of salt 1 contains π–π stacked imidazolium⋯difluorophenyl⋯difluorophenyl⋯imidazolium units. Those of salts 2, 4 and 5 possess bromide⋯halofluorophenyl⋯halofluorophenyl⋯bromide motifs comprising anion–π and π–π stacking interactions. That of salt 4 also contains bromide⋯iodide halogen bonding. The crystal structure of the sesquihydrate of salt 3 possesses bromine⋯halofluorophenyl⋯halofluorophenyl⋯bromine motifs.
中文翻译:
1-(2-卤代-6-氟代苯基甲基)-1-甲基咪唑鎓溴化物盐的结构
1-(2-卤代-6-氟代苯基甲基)-1-甲基咪唑鎓溴化物盐和1-(2-三氟甲基-6-氟代苯基甲基)-1-甲基咪唑鎓溴化物[MeNC 3 H 3 NCH 2 C 6 H 3 X -2-F-6] + ·溴- [X = F(1),CL(2),溴(3),I(4),CF 3(5)]已被确定。盐1的水合物的晶体结构包含π-π堆叠的咪唑⋯二氟苯基⋯二氟苯基⋯咪唑单元。那些盐的2,4和5具有由阴离子-π和π-π堆积相互作用构成的溴化物-卤代氟苯基-卤代氟苯基-溴化物基序。盐4的盐还包含溴化碘化物卤素键。盐3的倍半水合物的晶体结构具有溴⋯卤氟苯基⋯卤氟苯基⋯溴基序。